UCSF

ZINC04756011

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 -0.24 -52.13 2 8 1 97 401.439 7
Mid Mid (pH 6-8) 0.68 -0.43 -59.68 1 8 1 94 401.439 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )